UCSF

ZINC61380311

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 16 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.02 -2.08 -46.05 1 7 0 89 229.236 6
Hi High (pH 8-9.5) -1.02 -4.5 -36.11 0 7 -1 87 228.228 6
Hi High (pH 8-9.5) -1.48 -1.83 -7.37 1 7 0 84 229.236 6
Mid Mid (pH 6-8) -1.48 0.59 -40.41 2 7 1 86 230.244 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.